SimRNA (c) 2009-2024 Genesilico, ver. 3.33 PDB Replica Exchange Monte Carlo Method is SWITCHED ON 10 replicas were ordered .reading parameteres setting random seed = 1 initiating replica nr: 1 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Theta5_modeRNA_sim_l-4cf8765a/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 55 residues chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 55 nucleotides atom position constraints swiched ON bacause base: G, 101 is fixed, fixing also its C4' atom bacause base: A, 102 is fixed, fixing also its C4' atom bacause base: C, 103 is fixed, fixing also its C4' atom bacause base: G, 104 is fixed, fixing also its C4' atom bacause base: G, 105 is fixed, fixing also its C4' atom bacause base: A, 106 is fixed, fixing also its C4' atom bacause base: U, 107 is fixed, fixing also its C4' atom bacause base: A, 108 is fixed, fixing also its C4' atom bacause base: U, 109 is fixed, fixing also its C4' atom bacause base: U, 110 is fixed, fixing also its C4' atom bacause base: U, 111 is fixed, fixing also its C4' atom bacause base: A, 112 is fixed, fixing also its C4' atom bacause base: G, 113 is fixed, fixing also its C4' atom bacause base: C, 114 is fixed, fixing also its C4' atom bacause base: A, 115 is fixed, fixing also its C4' atom bacause base: A, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: C, 118 is fixed, fixing also its C4' atom bacause base: C, 119 is fixed, fixing also its C4' atom bacause base: U, 120 is fixed, fixing also its C4' atom bacause base: C, 121 is fixed, fixing also its C4' atom bacause base: C, 122 is fixed, fixing also its C4' atom bacause base: A, 123 is fixed, fixing also its C4' atom bacause base: C, 124 is fixed, fixing also its C4' atom bacause base: G, 125 is fixed, fixing also its C4' atom bacause base: U, 127 is fixed, fixing also its C4' atom bacause base: G, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: C, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: U, 132 is fixed, fixing also its C4' atom bacause base: C, 133 is fixed, fixing also its C4' atom bacause base: C, 134 is fixed, fixing also its C4' atom bacause base: G, 135 is fixed, fixing also its C4' atom bacause base: U, 136 is fixed, fixing also its C4' atom bacause base: U, 137 is fixed, fixing also its C4' atom bacause base: G, 138 is fixed, fixing also its C4' atom bacause base: G, 139 is fixed, fixing also its C4' atom bacause base: G, 140 is fixed, fixing also its C4' atom bacause base: U, 141 is fixed, fixing also its C4' atom bacause base: A, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: C, 144 is fixed, fixing also its C4' atom bacause base: G, 162 is fixed, fixing also its C4' atom bacause base: C, 163 is fixed, fixing also its C4' atom bacause base: U, 164 is fixed, fixing also its C4' atom bacause base: A, 165 is fixed, fixing also its C4' atom bacause base: A, 166 is fixed, fixing also its C4' atom bacause base: U, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: G, 169 is fixed, fixing also its C4' atom bacause base: C, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: A, 172 is fixed, fixing also its C4' atom bacause base: A, 173 is fixed, fixing also its C4' atom loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 280 n_atoms_counter: 280 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _(((((((......................)))))))..................._ chain: 1: _................((((....).))).........................._ chain: 1: _.........(((((((................................)))))))_ chain: 1: _....................((..............))................._ nucl1: 6, chain1: 0, <---> nucl2: 29, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 29 nucl1: 5, chain1: 0, <---> nucl2: 30, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 30 nucl1: 4, chain1: 0, <---> nucl2: 31, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 31 nucl1: 3, chain1: 0, <---> nucl2: 32, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 32 nucl1: 2, chain1: 0, <---> nucl2: 33, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 33 nucl1: 1, chain1: 0, <---> nucl2: 34, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 34 nucl1: 0, chain1: 0, <---> nucl2: 35, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 35 nucl1: 19, chain1: 0, <---> nucl2: 24, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 24 nucl1: 18, chain1: 0, <---> nucl2: 26, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 26 nucl1: 17, chain1: 0, <---> nucl2: 27, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 27 nucl1: 16, chain1: 0, <---> nucl2: 28, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 28 nucl1: 15, chain1: 0, <---> nucl2: 48, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 48 nucl1: 14, chain1: 0, <---> nucl2: 49, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 49 nucl1: 13, chain1: 0, <---> nucl2: 50, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 50 nucl1: 12, chain1: 0, <---> nucl2: 51, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 51 nucl1: 11, chain1: 0, <---> nucl2: 52, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 52 nucl1: 10, chain1: 0, <---> nucl2: 53, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 53 nucl1: 9, chain1: 0, <---> nucl2: 54, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 54 nucl1: 21, chain1: 0, <---> nucl2: 36, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 36 nucl1: 20, chain1: 0, <---> nucl2: 37, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 37 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 55.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.900 successfully initiated initiating replica nr: 2 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Theta5_modeRNA_sim_l-4cf8765a/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 55 residues chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 55 nucleotides atom position constraints swiched ON bacause base: G, 101 is fixed, fixing also its C4' atom bacause base: A, 102 is fixed, fixing also its C4' atom bacause base: C, 103 is fixed, fixing also its C4' atom bacause base: G, 104 is fixed, fixing also its C4' atom bacause base: G, 105 is fixed, fixing also its C4' atom bacause base: A, 106 is fixed, fixing also its C4' atom bacause base: U, 107 is fixed, fixing also its C4' atom bacause base: A, 108 is fixed, fixing also its C4' atom bacause base: U, 109 is fixed, fixing also its C4' atom bacause base: U, 110 is fixed, fixing also its C4' atom bacause base: U, 111 is fixed, fixing also its C4' atom bacause base: A, 112 is fixed, fixing also its C4' atom bacause base: G, 113 is fixed, fixing also its C4' atom bacause base: C, 114 is fixed, fixing also its C4' atom bacause base: A, 115 is fixed, fixing also its C4' atom bacause base: A, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: C, 118 is fixed, fixing also its C4' atom bacause base: C, 119 is fixed, fixing also its C4' atom bacause base: U, 120 is fixed, fixing also its C4' atom bacause base: C, 121 is fixed, fixing also its C4' atom bacause base: C, 122 is fixed, fixing also its C4' atom bacause base: A, 123 is fixed, fixing also its C4' atom bacause base: C, 124 is fixed, fixing also its C4' atom bacause base: G, 125 is fixed, fixing also its C4' atom bacause base: U, 127 is fixed, fixing also its C4' atom bacause base: G, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: C, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: U, 132 is fixed, fixing also its C4' atom bacause base: C, 133 is fixed, fixing also its C4' atom bacause base: C, 134 is fixed, fixing also its C4' atom bacause base: G, 135 is fixed, fixing also its C4' atom bacause base: U, 136 is fixed, fixing also its C4' atom bacause base: U, 137 is fixed, fixing also its C4' atom bacause base: G, 138 is fixed, fixing also its C4' atom bacause base: G, 139 is fixed, fixing also its C4' atom bacause base: G, 140 is fixed, fixing also its C4' atom bacause base: U, 141 is fixed, fixing also its C4' atom bacause base: A, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: C, 144 is fixed, fixing also its C4' atom bacause base: G, 162 is fixed, fixing also its C4' atom bacause base: C, 163 is fixed, fixing also its C4' atom bacause base: U, 164 is fixed, fixing also its C4' atom bacause base: A, 165 is fixed, fixing also its C4' atom bacause base: A, 166 is fixed, fixing also its C4' atom bacause base: U, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: G, 169 is fixed, fixing also its C4' atom bacause base: C, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: A, 172 is fixed, fixing also its C4' atom bacause base: A, 173 is fixed, fixing also its C4' atom loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 280 n_atoms_counter: 280 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _(((((((......................)))))))..................._ chain: 1: _................((((....).))).........................._ chain: 1: _.........(((((((................................)))))))_ chain: 1: _....................((..............))................._ nucl1: 6, chain1: 0, <---> nucl2: 29, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 29 nucl1: 5, chain1: 0, <---> nucl2: 30, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 30 nucl1: 4, chain1: 0, <---> nucl2: 31, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 31 nucl1: 3, chain1: 0, <---> nucl2: 32, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 32 nucl1: 2, chain1: 0, <---> nucl2: 33, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 33 nucl1: 1, chain1: 0, <---> nucl2: 34, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 34 nucl1: 0, chain1: 0, <---> nucl2: 35, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 35 nucl1: 19, chain1: 0, <---> nucl2: 24, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 24 nucl1: 18, chain1: 0, <---> nucl2: 26, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 26 nucl1: 17, chain1: 0, <---> nucl2: 27, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 27 nucl1: 16, chain1: 0, <---> nucl2: 28, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 28 nucl1: 15, chain1: 0, <---> nucl2: 48, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 48 nucl1: 14, chain1: 0, <---> nucl2: 49, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 49 nucl1: 13, chain1: 0, <---> nucl2: 50, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 50 nucl1: 12, chain1: 0, <---> nucl2: 51, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 51 nucl1: 11, chain1: 0, <---> nucl2: 52, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 52 nucl1: 10, chain1: 0, <---> nucl2: 53, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 53 nucl1: 9, chain1: 0, <---> nucl2: 54, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 54 nucl1: 21, chain1: 0, <---> nucl2: 36, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 36 nucl1: 20, chain1: 0, <---> nucl2: 37, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 37 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 55.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.950 successfully initiated initiating replica nr: 3 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Theta5_modeRNA_sim_l-4cf8765a/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 55 residues chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 55 nucleotides atom position constraints swiched ON bacause base: G, 101 is fixed, fixing also its C4' atom bacause base: A, 102 is fixed, fixing also its C4' atom bacause base: C, 103 is fixed, fixing also its C4' atom bacause base: G, 104 is fixed, fixing also its C4' atom bacause base: G, 105 is fixed, fixing also its C4' atom bacause base: A, 106 is fixed, fixing also its C4' atom bacause base: U, 107 is fixed, fixing also its C4' atom bacause base: A, 108 is fixed, fixing also its C4' atom bacause base: U, 109 is fixed, fixing also its C4' atom bacause base: U, 110 is fixed, fixing also its C4' atom bacause base: U, 111 is fixed, fixing also its C4' atom bacause base: A, 112 is fixed, fixing also its C4' atom bacause base: G, 113 is fixed, fixing also its C4' atom bacause base: C, 114 is fixed, fixing also its C4' atom bacause base: A, 115 is fixed, fixing also its C4' atom bacause base: A, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: C, 118 is fixed, fixing also its C4' atom bacause base: C, 119 is fixed, fixing also its C4' atom bacause base: U, 120 is fixed, fixing also its C4' atom bacause base: C, 121 is fixed, fixing also its C4' atom bacause base: C, 122 is fixed, fixing also its C4' atom bacause base: A, 123 is fixed, fixing also its C4' atom bacause base: C, 124 is fixed, fixing also its C4' atom bacause base: G, 125 is fixed, fixing also its C4' atom bacause base: U, 127 is fixed, fixing also its C4' atom bacause base: G, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: C, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: U, 132 is fixed, fixing also its C4' atom bacause base: C, 133 is fixed, fixing also its C4' atom bacause base: C, 134 is fixed, fixing also its C4' atom bacause base: G, 135 is fixed, fixing also its C4' atom bacause base: U, 136 is fixed, fixing also its C4' atom bacause base: U, 137 is fixed, fixing also its C4' atom bacause base: G, 138 is fixed, fixing also its C4' atom bacause base: G, 139 is fixed, fixing also its C4' atom bacause base: G, 140 is fixed, fixing also its C4' atom bacause base: U, 141 is fixed, fixing also its C4' atom bacause base: A, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: C, 144 is fixed, fixing also its C4' atom bacause base: G, 162 is fixed, fixing also its C4' atom bacause base: C, 163 is fixed, fixing also its C4' atom bacause base: U, 164 is fixed, fixing also its C4' atom bacause base: A, 165 is fixed, fixing also its C4' atom bacause base: A, 166 is fixed, fixing also its C4' atom bacause base: U, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: G, 169 is fixed, fixing also its C4' atom bacause base: C, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: A, 172 is fixed, fixing also its C4' atom bacause base: A, 173 is fixed, fixing also its C4' atom loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 280 n_atoms_counter: 280 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _(((((((......................)))))))..................._ chain: 1: _................((((....).))).........................._ chain: 1: _.........(((((((................................)))))))_ chain: 1: _....................((..............))................._ nucl1: 6, chain1: 0, <---> nucl2: 29, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 29 nucl1: 5, chain1: 0, <---> nucl2: 30, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 30 nucl1: 4, chain1: 0, <---> nucl2: 31, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 31 nucl1: 3, chain1: 0, <---> nucl2: 32, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 32 nucl1: 2, chain1: 0, <---> nucl2: 33, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 33 nucl1: 1, chain1: 0, <---> nucl2: 34, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 34 nucl1: 0, chain1: 0, <---> nucl2: 35, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 35 nucl1: 19, chain1: 0, <---> nucl2: 24, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 24 nucl1: 18, chain1: 0, <---> nucl2: 26, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 26 nucl1: 17, chain1: 0, <---> nucl2: 27, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 27 nucl1: 16, chain1: 0, <---> nucl2: 28, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 28 nucl1: 15, chain1: 0, <---> nucl2: 48, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 48 nucl1: 14, chain1: 0, <---> nucl2: 49, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 49 nucl1: 13, chain1: 0, <---> nucl2: 50, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 50 nucl1: 12, chain1: 0, <---> nucl2: 51, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 51 nucl1: 11, chain1: 0, <---> nucl2: 52, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 52 nucl1: 10, chain1: 0, <---> nucl2: 53, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 53 nucl1: 9, chain1: 0, <---> nucl2: 54, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 54 nucl1: 21, chain1: 0, <---> nucl2: 36, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 36 nucl1: 20, chain1: 0, <---> nucl2: 37, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 37 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 55.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.000 successfully initiated initiating replica nr: 4 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Theta5_modeRNA_sim_l-4cf8765a/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 55 residues chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 55 nucleotides atom position constraints swiched ON bacause base: G, 101 is fixed, fixing also its C4' atom bacause base: A, 102 is fixed, fixing also its C4' atom bacause base: C, 103 is fixed, fixing also its C4' atom bacause base: G, 104 is fixed, fixing also its C4' atom bacause base: G, 105 is fixed, fixing also its C4' atom bacause base: A, 106 is fixed, fixing also its C4' atom bacause base: U, 107 is fixed, fixing also its C4' atom bacause base: A, 108 is fixed, fixing also its C4' atom bacause base: U, 109 is fixed, fixing also its C4' atom bacause base: U, 110 is fixed, fixing also its C4' atom bacause base: U, 111 is fixed, fixing also its C4' atom bacause base: A, 112 is fixed, fixing also its C4' atom bacause base: G, 113 is fixed, fixing also its C4' atom bacause base: C, 114 is fixed, fixing also its C4' atom bacause base: A, 115 is fixed, fixing also its C4' atom bacause base: A, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: C, 118 is fixed, fixing also its C4' atom bacause base: C, 119 is fixed, fixing also its C4' atom bacause base: U, 120 is fixed, fixing also its C4' atom bacause base: C, 121 is fixed, fixing also its C4' atom bacause base: C, 122 is fixed, fixing also its C4' atom bacause base: A, 123 is fixed, fixing also its C4' atom bacause base: C, 124 is fixed, fixing also its C4' atom bacause base: G, 125 is fixed, fixing also its C4' atom bacause base: U, 127 is fixed, fixing also its C4' atom bacause base: G, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: C, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: U, 132 is fixed, fixing also its C4' atom bacause base: C, 133 is fixed, fixing also its C4' atom bacause base: C, 134 is fixed, fixing also its C4' atom bacause base: G, 135 is fixed, fixing also its C4' atom bacause base: U, 136 is fixed, fixing also its C4' atom bacause base: U, 137 is fixed, fixing also its C4' atom bacause base: G, 138 is fixed, fixing also its C4' atom bacause base: G, 139 is fixed, fixing also its C4' atom bacause base: G, 140 is fixed, fixing also its C4' atom bacause base: U, 141 is fixed, fixing also its C4' atom bacause base: A, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: C, 144 is fixed, fixing also its C4' atom bacause base: G, 162 is fixed, fixing also its C4' atom bacause base: C, 163 is fixed, fixing also its C4' atom bacause base: U, 164 is fixed, fixing also its C4' atom bacause base: A, 165 is fixed, fixing also its C4' atom bacause base: A, 166 is fixed, fixing also its C4' atom bacause base: U, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: G, 169 is fixed, fixing also its C4' atom bacause base: C, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: A, 172 is fixed, fixing also its C4' atom bacause base: A, 173 is fixed, fixing also its C4' atom loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 280 n_atoms_counter: 280 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _(((((((......................)))))))..................._ chain: 1: _................((((....).))).........................._ chain: 1: _.........(((((((................................)))))))_ chain: 1: _....................((..............))................._ nucl1: 6, chain1: 0, <---> nucl2: 29, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 29 nucl1: 5, chain1: 0, <---> nucl2: 30, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 30 nucl1: 4, chain1: 0, <---> nucl2: 31, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 31 nucl1: 3, chain1: 0, <---> nucl2: 32, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 32 nucl1: 2, chain1: 0, <---> nucl2: 33, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 33 nucl1: 1, chain1: 0, <---> nucl2: 34, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 34 nucl1: 0, chain1: 0, <---> nucl2: 35, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 35 nucl1: 19, chain1: 0, <---> nucl2: 24, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 24 nucl1: 18, chain1: 0, <---> nucl2: 26, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 26 nucl1: 17, chain1: 0, <---> nucl2: 27, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 27 nucl1: 16, chain1: 0, <---> nucl2: 28, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 28 nucl1: 15, chain1: 0, <---> nucl2: 48, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 48 nucl1: 14, chain1: 0, <---> nucl2: 49, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 49 nucl1: 13, chain1: 0, <---> nucl2: 50, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 50 nucl1: 12, chain1: 0, <---> nucl2: 51, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 51 nucl1: 11, chain1: 0, <---> nucl2: 52, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 52 nucl1: 10, chain1: 0, <---> nucl2: 53, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 53 nucl1: 9, chain1: 0, <---> nucl2: 54, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 54 nucl1: 21, chain1: 0, <---> nucl2: 36, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 36 nucl1: 20, chain1: 0, <---> nucl2: 37, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 37 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 55.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.050 successfully initiated initiating replica nr: 5 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Theta5_modeRNA_sim_l-4cf8765a/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 55 residues chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 55 nucleotides atom position constraints swiched ON bacause base: G, 101 is fixed, fixing also its C4' atom bacause base: A, 102 is fixed, fixing also its C4' atom bacause base: C, 103 is fixed, fixing also its C4' atom bacause base: G, 104 is fixed, fixing also its C4' atom bacause base: G, 105 is fixed, fixing also its C4' atom bacause base: A, 106 is fixed, fixing also its C4' atom bacause base: U, 107 is fixed, fixing also its C4' atom bacause base: A, 108 is fixed, fixing also its C4' atom bacause base: U, 109 is fixed, fixing also its C4' atom bacause base: U, 110 is fixed, fixing also its C4' atom bacause base: U, 111 is fixed, fixing also its C4' atom bacause base: A, 112 is fixed, fixing also its C4' atom bacause base: G, 113 is fixed, fixing also its C4' atom bacause base: C, 114 is fixed, fixing also its C4' atom bacause base: A, 115 is fixed, fixing also its C4' atom bacause base: A, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: C, 118 is fixed, fixing also its C4' atom bacause base: C, 119 is fixed, fixing also its C4' atom bacause base: U, 120 is fixed, fixing also its C4' atom bacause base: C, 121 is fixed, fixing also its C4' atom bacause base: C, 122 is fixed, fixing also its C4' atom bacause base: A, 123 is fixed, fixing also its C4' atom bacause base: C, 124 is fixed, fixing also its C4' atom bacause base: G, 125 is fixed, fixing also its C4' atom bacause base: U, 127 is fixed, fixing also its C4' atom bacause base: G, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: C, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: U, 132 is fixed, fixing also its C4' atom bacause base: C, 133 is fixed, fixing also its C4' atom bacause base: C, 134 is fixed, fixing also its C4' atom bacause base: G, 135 is fixed, fixing also its C4' atom bacause base: U, 136 is fixed, fixing also its C4' atom bacause base: U, 137 is fixed, fixing also its C4' atom bacause base: G, 138 is fixed, fixing also its C4' atom bacause base: G, 139 is fixed, fixing also its C4' atom bacause base: G, 140 is fixed, fixing also its C4' atom bacause base: U, 141 is fixed, fixing also its C4' atom bacause base: A, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: C, 144 is fixed, fixing also its C4' atom bacause base: G, 162 is fixed, fixing also its C4' atom bacause base: C, 163 is fixed, fixing also its C4' atom bacause base: U, 164 is fixed, fixing also its C4' atom bacause base: A, 165 is fixed, fixing also its C4' atom bacause base: A, 166 is fixed, fixing also its C4' atom bacause base: U, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: G, 169 is fixed, fixing also its C4' atom bacause base: C, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: A, 172 is fixed, fixing also its C4' atom bacause base: A, 173 is fixed, fixing also its C4' atom loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 280 n_atoms_counter: 280 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _(((((((......................)))))))..................._ chain: 1: _................((((....).))).........................._ chain: 1: _.........(((((((................................)))))))_ chain: 1: _....................((..............))................._ nucl1: 6, chain1: 0, <---> nucl2: 29, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 29 nucl1: 5, chain1: 0, <---> nucl2: 30, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 30 nucl1: 4, chain1: 0, <---> nucl2: 31, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 31 nucl1: 3, chain1: 0, <---> nucl2: 32, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 32 nucl1: 2, chain1: 0, <---> nucl2: 33, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 33 nucl1: 1, chain1: 0, <---> nucl2: 34, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 34 nucl1: 0, chain1: 0, <---> nucl2: 35, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 35 nucl1: 19, chain1: 0, <---> nucl2: 24, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 24 nucl1: 18, chain1: 0, <---> nucl2: 26, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 26 nucl1: 17, chain1: 0, <---> nucl2: 27, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 27 nucl1: 16, chain1: 0, <---> nucl2: 28, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 28 nucl1: 15, chain1: 0, <---> nucl2: 48, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 48 nucl1: 14, chain1: 0, <---> nucl2: 49, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 49 nucl1: 13, chain1: 0, <---> nucl2: 50, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 50 nucl1: 12, chain1: 0, <---> nucl2: 51, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 51 nucl1: 11, chain1: 0, <---> nucl2: 52, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 52 nucl1: 10, chain1: 0, <---> nucl2: 53, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 53 nucl1: 9, chain1: 0, <---> nucl2: 54, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 54 nucl1: 21, chain1: 0, <---> nucl2: 36, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 36 nucl1: 20, chain1: 0, <---> nucl2: 37, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 37 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 55.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.100 successfully initiated initiating replica nr: 6 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Theta5_modeRNA_sim_l-4cf8765a/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 55 residues chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 55 nucleotides atom position constraints swiched ON bacause base: G, 101 is fixed, fixing also its C4' atom bacause base: A, 102 is fixed, fixing also its C4' atom bacause base: C, 103 is fixed, fixing also its C4' atom bacause base: G, 104 is fixed, fixing also its C4' atom bacause base: G, 105 is fixed, fixing also its C4' atom bacause base: A, 106 is fixed, fixing also its C4' atom bacause base: U, 107 is fixed, fixing also its C4' atom bacause base: A, 108 is fixed, fixing also its C4' atom bacause base: U, 109 is fixed, fixing also its C4' atom bacause base: U, 110 is fixed, fixing also its C4' atom bacause base: U, 111 is fixed, fixing also its C4' atom bacause base: A, 112 is fixed, fixing also its C4' atom bacause base: G, 113 is fixed, fixing also its C4' atom bacause base: C, 114 is fixed, fixing also its C4' atom bacause base: A, 115 is fixed, fixing also its C4' atom bacause base: A, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: C, 118 is fixed, fixing also its C4' atom bacause base: C, 119 is fixed, fixing also its C4' atom bacause base: U, 120 is fixed, fixing also its C4' atom bacause base: C, 121 is fixed, fixing also its C4' atom bacause base: C, 122 is fixed, fixing also its C4' atom bacause base: A, 123 is fixed, fixing also its C4' atom bacause base: C, 124 is fixed, fixing also its C4' atom bacause base: G, 125 is fixed, fixing also its C4' atom bacause base: U, 127 is fixed, fixing also its C4' atom bacause base: G, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: C, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: U, 132 is fixed, fixing also its C4' atom bacause base: C, 133 is fixed, fixing also its C4' atom bacause base: C, 134 is fixed, fixing also its C4' atom bacause base: G, 135 is fixed, fixing also its C4' atom bacause base: U, 136 is fixed, fixing also its C4' atom bacause base: U, 137 is fixed, fixing also its C4' atom bacause base: G, 138 is fixed, fixing also its C4' atom bacause base: G, 139 is fixed, fixing also its C4' atom bacause base: G, 140 is fixed, fixing also its C4' atom bacause base: U, 141 is fixed, fixing also its C4' atom bacause base: A, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: C, 144 is fixed, fixing also its C4' atom bacause base: G, 162 is fixed, fixing also its C4' atom bacause base: C, 163 is fixed, fixing also its C4' atom bacause base: U, 164 is fixed, fixing also its C4' atom bacause base: A, 165 is fixed, fixing also its C4' atom bacause base: A, 166 is fixed, fixing also its C4' atom bacause base: U, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: G, 169 is fixed, fixing also its C4' atom bacause base: C, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: A, 172 is fixed, fixing also its C4' atom bacause base: A, 173 is fixed, fixing also its C4' atom loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 280 n_atoms_counter: 280 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _(((((((......................)))))))..................._ chain: 1: _................((((....).))).........................._ chain: 1: _.........(((((((................................)))))))_ chain: 1: _....................((..............))................._ nucl1: 6, chain1: 0, <---> nucl2: 29, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 29 nucl1: 5, chain1: 0, <---> nucl2: 30, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 30 nucl1: 4, chain1: 0, <---> nucl2: 31, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 31 nucl1: 3, chain1: 0, <---> nucl2: 32, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 32 nucl1: 2, chain1: 0, <---> nucl2: 33, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 33 nucl1: 1, chain1: 0, <---> nucl2: 34, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 34 nucl1: 0, chain1: 0, <---> nucl2: 35, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 35 nucl1: 19, chain1: 0, <---> nucl2: 24, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 24 nucl1: 18, chain1: 0, <---> nucl2: 26, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 26 nucl1: 17, chain1: 0, <---> nucl2: 27, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 27 nucl1: 16, chain1: 0, <---> nucl2: 28, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 28 nucl1: 15, chain1: 0, <---> nucl2: 48, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 48 nucl1: 14, chain1: 0, <---> nucl2: 49, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 49 nucl1: 13, chain1: 0, <---> nucl2: 50, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 50 nucl1: 12, chain1: 0, <---> nucl2: 51, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 51 nucl1: 11, chain1: 0, <---> nucl2: 52, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 52 nucl1: 10, chain1: 0, <---> nucl2: 53, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 53 nucl1: 9, chain1: 0, <---> nucl2: 54, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 54 nucl1: 21, chain1: 0, <---> nucl2: 36, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 36 nucl1: 20, chain1: 0, <---> nucl2: 37, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 37 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 55.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.150 successfully initiated initiating replica nr: 7 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Theta5_modeRNA_sim_l-4cf8765a/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 55 residues chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 55 nucleotides atom position constraints swiched ON bacause base: G, 101 is fixed, fixing also its C4' atom bacause base: A, 102 is fixed, fixing also its C4' atom bacause base: C, 103 is fixed, fixing also its C4' atom bacause base: G, 104 is fixed, fixing also its C4' atom bacause base: G, 105 is fixed, fixing also its C4' atom bacause base: A, 106 is fixed, fixing also its C4' atom bacause base: U, 107 is fixed, fixing also its C4' atom bacause base: A, 108 is fixed, fixing also its C4' atom bacause base: U, 109 is fixed, fixing also its C4' atom bacause base: U, 110 is fixed, fixing also its C4' atom bacause base: U, 111 is fixed, fixing also its C4' atom bacause base: A, 112 is fixed, fixing also its C4' atom bacause base: G, 113 is fixed, fixing also its C4' atom bacause base: C, 114 is fixed, fixing also its C4' atom bacause base: A, 115 is fixed, fixing also its C4' atom bacause base: A, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: C, 118 is fixed, fixing also its C4' atom bacause base: C, 119 is fixed, fixing also its C4' atom bacause base: U, 120 is fixed, fixing also its C4' atom bacause base: C, 121 is fixed, fixing also its C4' atom bacause base: C, 122 is fixed, fixing also its C4' atom bacause base: A, 123 is fixed, fixing also its C4' atom bacause base: C, 124 is fixed, fixing also its C4' atom bacause base: G, 125 is fixed, fixing also its C4' atom bacause base: U, 127 is fixed, fixing also its C4' atom bacause base: G, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: C, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: U, 132 is fixed, fixing also its C4' atom bacause base: C, 133 is fixed, fixing also its C4' atom bacause base: C, 134 is fixed, fixing also its C4' atom bacause base: G, 135 is fixed, fixing also its C4' atom bacause base: U, 136 is fixed, fixing also its C4' atom bacause base: U, 137 is fixed, fixing also its C4' atom bacause base: G, 138 is fixed, fixing also its C4' atom bacause base: G, 139 is fixed, fixing also its C4' atom bacause base: G, 140 is fixed, fixing also its C4' atom bacause base: U, 141 is fixed, fixing also its C4' atom bacause base: A, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: C, 144 is fixed, fixing also its C4' atom bacause base: G, 162 is fixed, fixing also its C4' atom bacause base: C, 163 is fixed, fixing also its C4' atom bacause base: U, 164 is fixed, fixing also its C4' atom bacause base: A, 165 is fixed, fixing also its C4' atom bacause base: A, 166 is fixed, fixing also its C4' atom bacause base: U, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: G, 169 is fixed, fixing also its C4' atom bacause base: C, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: A, 172 is fixed, fixing also its C4' atom bacause base: A, 173 is fixed, fixing also its C4' atom loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 280 n_atoms_counter: 280 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _(((((((......................)))))))..................._ chain: 1: _................((((....).))).........................._ chain: 1: _.........(((((((................................)))))))_ chain: 1: _....................((..............))................._ nucl1: 6, chain1: 0, <---> nucl2: 29, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 29 nucl1: 5, chain1: 0, <---> nucl2: 30, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 30 nucl1: 4, chain1: 0, <---> nucl2: 31, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 31 nucl1: 3, chain1: 0, <---> nucl2: 32, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 32 nucl1: 2, chain1: 0, <---> nucl2: 33, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 33 nucl1: 1, chain1: 0, <---> nucl2: 34, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 34 nucl1: 0, chain1: 0, <---> nucl2: 35, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 35 nucl1: 19, chain1: 0, <---> nucl2: 24, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 24 nucl1: 18, chain1: 0, <---> nucl2: 26, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 26 nucl1: 17, chain1: 0, <---> nucl2: 27, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 27 nucl1: 16, chain1: 0, <---> nucl2: 28, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 28 nucl1: 15, chain1: 0, <---> nucl2: 48, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 48 nucl1: 14, chain1: 0, <---> nucl2: 49, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 49 nucl1: 13, chain1: 0, <---> nucl2: 50, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 50 nucl1: 12, chain1: 0, <---> nucl2: 51, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 51 nucl1: 11, chain1: 0, <---> nucl2: 52, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 52 nucl1: 10, chain1: 0, <---> nucl2: 53, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 53 nucl1: 9, chain1: 0, <---> nucl2: 54, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 54 nucl1: 21, chain1: 0, <---> nucl2: 36, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 36 nucl1: 20, chain1: 0, <---> nucl2: 37, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 37 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 55.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.200 successfully initiated initiating replica nr: 8 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Theta5_modeRNA_sim_l-4cf8765a/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 55 residues chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 55 nucleotides atom position constraints swiched ON bacause base: G, 101 is fixed, fixing also its C4' atom bacause base: A, 102 is fixed, fixing also its C4' atom bacause base: C, 103 is fixed, fixing also its C4' atom bacause base: G, 104 is fixed, fixing also its C4' atom bacause base: G, 105 is fixed, fixing also its C4' atom bacause base: A, 106 is fixed, fixing also its C4' atom bacause base: U, 107 is fixed, fixing also its C4' atom bacause base: A, 108 is fixed, fixing also its C4' atom bacause base: U, 109 is fixed, fixing also its C4' atom bacause base: U, 110 is fixed, fixing also its C4' atom bacause base: U, 111 is fixed, fixing also its C4' atom bacause base: A, 112 is fixed, fixing also its C4' atom bacause base: G, 113 is fixed, fixing also its C4' atom bacause base: C, 114 is fixed, fixing also its C4' atom bacause base: A, 115 is fixed, fixing also its C4' atom bacause base: A, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: C, 118 is fixed, fixing also its C4' atom bacause base: C, 119 is fixed, fixing also its C4' atom bacause base: U, 120 is fixed, fixing also its C4' atom bacause base: C, 121 is fixed, fixing also its C4' atom bacause base: C, 122 is fixed, fixing also its C4' atom bacause base: A, 123 is fixed, fixing also its C4' atom bacause base: C, 124 is fixed, fixing also its C4' atom bacause base: G, 125 is fixed, fixing also its C4' atom bacause base: U, 127 is fixed, fixing also its C4' atom bacause base: G, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: C, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: U, 132 is fixed, fixing also its C4' atom bacause base: C, 133 is fixed, fixing also its C4' atom bacause base: C, 134 is fixed, fixing also its C4' atom bacause base: G, 135 is fixed, fixing also its C4' atom bacause base: U, 136 is fixed, fixing also its C4' atom bacause base: U, 137 is fixed, fixing also its C4' atom bacause base: G, 138 is fixed, fixing also its C4' atom bacause base: G, 139 is fixed, fixing also its C4' atom bacause base: G, 140 is fixed, fixing also its C4' atom bacause base: U, 141 is fixed, fixing also its C4' atom bacause base: A, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: C, 144 is fixed, fixing also its C4' atom bacause base: G, 162 is fixed, fixing also its C4' atom bacause base: C, 163 is fixed, fixing also its C4' atom bacause base: U, 164 is fixed, fixing also its C4' atom bacause base: A, 165 is fixed, fixing also its C4' atom bacause base: A, 166 is fixed, fixing also its C4' atom bacause base: U, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: G, 169 is fixed, fixing also its C4' atom bacause base: C, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: A, 172 is fixed, fixing also its C4' atom bacause base: A, 173 is fixed, fixing also its C4' atom loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 280 n_atoms_counter: 280 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _(((((((......................)))))))..................._ chain: 1: _................((((....).))).........................._ chain: 1: _.........(((((((................................)))))))_ chain: 1: _....................((..............))................._ nucl1: 6, chain1: 0, <---> nucl2: 29, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 29 nucl1: 5, chain1: 0, <---> nucl2: 30, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 30 nucl1: 4, chain1: 0, <---> nucl2: 31, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 31 nucl1: 3, chain1: 0, <---> nucl2: 32, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 32 nucl1: 2, chain1: 0, <---> nucl2: 33, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 33 nucl1: 1, chain1: 0, <---> nucl2: 34, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 34 nucl1: 0, chain1: 0, <---> nucl2: 35, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 35 nucl1: 19, chain1: 0, <---> nucl2: 24, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 24 nucl1: 18, chain1: 0, <---> nucl2: 26, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 26 nucl1: 17, chain1: 0, <---> nucl2: 27, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 27 nucl1: 16, chain1: 0, <---> nucl2: 28, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 28 nucl1: 15, chain1: 0, <---> nucl2: 48, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 48 nucl1: 14, chain1: 0, <---> nucl2: 49, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 49 nucl1: 13, chain1: 0, <---> nucl2: 50, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 50 nucl1: 12, chain1: 0, <---> nucl2: 51, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 51 nucl1: 11, chain1: 0, <---> nucl2: 52, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 52 nucl1: 10, chain1: 0, <---> nucl2: 53, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 53 nucl1: 9, chain1: 0, <---> nucl2: 54, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 54 nucl1: 21, chain1: 0, <---> nucl2: 36, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 36 nucl1: 20, chain1: 0, <---> nucl2: 37, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 37 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 55.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.250 successfully initiated initiating replica nr: 9 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Theta5_modeRNA_sim_l-4cf8765a/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 55 residues chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 55 nucleotides atom position constraints swiched ON bacause base: G, 101 is fixed, fixing also its C4' atom bacause base: A, 102 is fixed, fixing also its C4' atom bacause base: C, 103 is fixed, fixing also its C4' atom bacause base: G, 104 is fixed, fixing also its C4' atom bacause base: G, 105 is fixed, fixing also its C4' atom bacause base: A, 106 is fixed, fixing also its C4' atom bacause base: U, 107 is fixed, fixing also its C4' atom bacause base: A, 108 is fixed, fixing also its C4' atom bacause base: U, 109 is fixed, fixing also its C4' atom bacause base: U, 110 is fixed, fixing also its C4' atom bacause base: U, 111 is fixed, fixing also its C4' atom bacause base: A, 112 is fixed, fixing also its C4' atom bacause base: G, 113 is fixed, fixing also its C4' atom bacause base: C, 114 is fixed, fixing also its C4' atom bacause base: A, 115 is fixed, fixing also its C4' atom bacause base: A, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: C, 118 is fixed, fixing also its C4' atom bacause base: C, 119 is fixed, fixing also its C4' atom bacause base: U, 120 is fixed, fixing also its C4' atom bacause base: C, 121 is fixed, fixing also its C4' atom bacause base: C, 122 is fixed, fixing also its C4' atom bacause base: A, 123 is fixed, fixing also its C4' atom bacause base: C, 124 is fixed, fixing also its C4' atom bacause base: G, 125 is fixed, fixing also its C4' atom bacause base: U, 127 is fixed, fixing also its C4' atom bacause base: G, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: C, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: U, 132 is fixed, fixing also its C4' atom bacause base: C, 133 is fixed, fixing also its C4' atom bacause base: C, 134 is fixed, fixing also its C4' atom bacause base: G, 135 is fixed, fixing also its C4' atom bacause base: U, 136 is fixed, fixing also its C4' atom bacause base: U, 137 is fixed, fixing also its C4' atom bacause base: G, 138 is fixed, fixing also its C4' atom bacause base: G, 139 is fixed, fixing also its C4' atom bacause base: G, 140 is fixed, fixing also its C4' atom bacause base: U, 141 is fixed, fixing also its C4' atom bacause base: A, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: C, 144 is fixed, fixing also its C4' atom bacause base: G, 162 is fixed, fixing also its C4' atom bacause base: C, 163 is fixed, fixing also its C4' atom bacause base: U, 164 is fixed, fixing also its C4' atom bacause base: A, 165 is fixed, fixing also its C4' atom bacause base: A, 166 is fixed, fixing also its C4' atom bacause base: U, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: G, 169 is fixed, fixing also its C4' atom bacause base: C, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: A, 172 is fixed, fixing also its C4' atom bacause base: A, 173 is fixed, fixing also its C4' atom loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 280 n_atoms_counter: 280 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _(((((((......................)))))))..................._ chain: 1: _................((((....).))).........................._ chain: 1: _.........(((((((................................)))))))_ chain: 1: _....................((..............))................._ nucl1: 6, chain1: 0, <---> nucl2: 29, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 29 nucl1: 5, chain1: 0, <---> nucl2: 30, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 30 nucl1: 4, chain1: 0, <---> nucl2: 31, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 31 nucl1: 3, chain1: 0, <---> nucl2: 32, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 32 nucl1: 2, chain1: 0, <---> nucl2: 33, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 33 nucl1: 1, chain1: 0, <---> nucl2: 34, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 34 nucl1: 0, chain1: 0, <---> nucl2: 35, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 35 nucl1: 19, chain1: 0, <---> nucl2: 24, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 24 nucl1: 18, chain1: 0, <---> nucl2: 26, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 26 nucl1: 17, chain1: 0, <---> nucl2: 27, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 27 nucl1: 16, chain1: 0, <---> nucl2: 28, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 28 nucl1: 15, chain1: 0, <---> nucl2: 48, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 48 nucl1: 14, chain1: 0, <---> nucl2: 49, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 49 nucl1: 13, chain1: 0, <---> nucl2: 50, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 50 nucl1: 12, chain1: 0, <---> nucl2: 51, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 51 nucl1: 11, chain1: 0, <---> nucl2: 52, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 52 nucl1: 10, chain1: 0, <---> nucl2: 53, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 53 nucl1: 9, chain1: 0, <---> nucl2: 54, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 54 nucl1: 21, chain1: 0, <---> nucl2: 36, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 36 nucl1: 20, chain1: 0, <---> nucl2: 37, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 37 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 55.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.300 successfully initiated initiating replica nr: 10 before entireStruct->initialize(input) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Theta5_modeRNA_sim_l-4cf8765a/inputs/struct_freezed.pdb number of recognized chains: 1 chain 'A' contains: 55 residues chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 55 nucleotides atom position constraints swiched ON bacause base: G, 101 is fixed, fixing also its C4' atom bacause base: A, 102 is fixed, fixing also its C4' atom bacause base: C, 103 is fixed, fixing also its C4' atom bacause base: G, 104 is fixed, fixing also its C4' atom bacause base: G, 105 is fixed, fixing also its C4' atom bacause base: A, 106 is fixed, fixing also its C4' atom bacause base: U, 107 is fixed, fixing also its C4' atom bacause base: A, 108 is fixed, fixing also its C4' atom bacause base: U, 109 is fixed, fixing also its C4' atom bacause base: U, 110 is fixed, fixing also its C4' atom bacause base: U, 111 is fixed, fixing also its C4' atom bacause base: A, 112 is fixed, fixing also its C4' atom bacause base: G, 113 is fixed, fixing also its C4' atom bacause base: C, 114 is fixed, fixing also its C4' atom bacause base: A, 115 is fixed, fixing also its C4' atom bacause base: A, 116 is fixed, fixing also its C4' atom bacause base: G, 117 is fixed, fixing also its C4' atom bacause base: C, 118 is fixed, fixing also its C4' atom bacause base: C, 119 is fixed, fixing also its C4' atom bacause base: U, 120 is fixed, fixing also its C4' atom bacause base: C, 121 is fixed, fixing also its C4' atom bacause base: C, 122 is fixed, fixing also its C4' atom bacause base: A, 123 is fixed, fixing also its C4' atom bacause base: C, 124 is fixed, fixing also its C4' atom bacause base: G, 125 is fixed, fixing also its C4' atom bacause base: U, 127 is fixed, fixing also its C4' atom bacause base: G, 128 is fixed, fixing also its C4' atom bacause base: G, 129 is fixed, fixing also its C4' atom bacause base: C, 130 is fixed, fixing also its C4' atom bacause base: A, 131 is fixed, fixing also its C4' atom bacause base: U, 132 is fixed, fixing also its C4' atom bacause base: C, 133 is fixed, fixing also its C4' atom bacause base: C, 134 is fixed, fixing also its C4' atom bacause base: G, 135 is fixed, fixing also its C4' atom bacause base: U, 136 is fixed, fixing also its C4' atom bacause base: U, 137 is fixed, fixing also its C4' atom bacause base: G, 138 is fixed, fixing also its C4' atom bacause base: G, 139 is fixed, fixing also its C4' atom bacause base: G, 140 is fixed, fixing also its C4' atom bacause base: U, 141 is fixed, fixing also its C4' atom bacause base: A, 142 is fixed, fixing also its C4' atom bacause base: A, 143 is fixed, fixing also its C4' atom bacause base: C, 144 is fixed, fixing also its C4' atom bacause base: G, 162 is fixed, fixing also its C4' atom bacause base: C, 163 is fixed, fixing also its C4' atom bacause base: U, 164 is fixed, fixing also its C4' atom bacause base: A, 165 is fixed, fixing also its C4' atom bacause base: A, 166 is fixed, fixing also its C4' atom bacause base: U, 167 is fixed, fixing also its C4' atom bacause base: U, 168 is fixed, fixing also its C4' atom bacause base: G, 169 is fixed, fixing also its C4' atom bacause base: C, 170 is fixed, fixing also its C4' atom bacause base: U, 171 is fixed, fixing also its C4' atom bacause base: A, 172 is fixed, fixing also its C4' atom bacause base: A, 173 is fixed, fixing also its C4' atom loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 280 n_atoms_counter: 280 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _(((((((......................)))))))..................._ chain: 1: _................((((....).))).........................._ chain: 1: _.........(((((((................................)))))))_ chain: 1: _....................((..............))................._ nucl1: 6, chain1: 0, <---> nucl2: 29, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 29 nucl1: 5, chain1: 0, <---> nucl2: 30, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 30 nucl1: 4, chain1: 0, <---> nucl2: 31, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 31 nucl1: 3, chain1: 0, <---> nucl2: 32, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 32 nucl1: 2, chain1: 0, <---> nucl2: 33, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 33 nucl1: 1, chain1: 0, <---> nucl2: 34, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2: 34 nucl1: 0, chain1: 0, <---> nucl2: 35, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2: 35 nucl1: 19, chain1: 0, <---> nucl2: 24, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 19, chainIndex_2: 0, nuclIndex_2: 24 nucl1: 18, chain1: 0, <---> nucl2: 26, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 18, chainIndex_2: 0, nuclIndex_2: 26 nucl1: 17, chain1: 0, <---> nucl2: 27, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 27 nucl1: 16, chain1: 0, <---> nucl2: 28, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 28 nucl1: 15, chain1: 0, <---> nucl2: 48, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 48 nucl1: 14, chain1: 0, <---> nucl2: 49, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 49 nucl1: 13, chain1: 0, <---> nucl2: 50, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 50 nucl1: 12, chain1: 0, <---> nucl2: 51, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 51 nucl1: 11, chain1: 0, <---> nucl2: 52, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 52 nucl1: 10, chain1: 0, <---> nucl2: 53, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2: 53 nucl1: 9, chain1: 0, <---> nucl2: 54, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2: 54 nucl1: 21, chain1: 0, <---> nucl2: 36, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 21, chainIndex_2: 0, nuclIndex_2: 36 nucl1: 20, chain1: 0, <---> nucl2: 37, chain2: 0 secondary structure restraint added: chainIndex_1: 0, nuclIndex_1: 20, chainIndex_2: 0, nuclIndex_2: 37 RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 55.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.350 successfully initiated .calculating program compiled for parallel execution of replicas in Replica Exchange MC method program can utilize maximum as many CPU cores as replicas, in this case: 10 ================================== temp. level: 1, replica: 1 ===================================== Write number: 1 Temperature: 0.900000 Total energy: -650.954507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -650.954507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -650.954507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -650.954507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -650.954507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -650.954507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -650.954507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -650.954507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -650.954507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -650.954507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 5 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 5 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 5 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 6 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 6 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 6 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 6 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 6 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 7 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 7 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 7 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 7 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 7 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 7 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 7 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 7 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 8 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 8 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 8 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 8 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 8 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 8 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 8 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 8 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 9 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 9 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 9 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 9 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 9 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 9 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 9 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 9 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 10 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 10 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 10 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 10 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 10 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 10 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 10 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 11 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 11 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 11 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 11 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 11 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 11 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 11 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 11 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 12 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 12 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 12 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 12 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 12 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 12 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 12 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 12 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 13 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 13 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 13 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 13 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 13 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 13 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 13 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 13 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 14 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 14 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 14 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 14 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 14 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 14 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 14 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 14 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 14 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 15 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 15 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 15 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 15 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 15 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 15 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 15 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 15 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 16 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 16 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 16 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 16 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 16 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 16 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 16 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 17 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 17 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 17 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 17 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 17 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 17 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 17 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 17 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 17 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 18 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 18 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 18 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 18 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 18 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 18 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 18 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 18 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 19 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 19 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 19 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 19 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 19 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 19 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 19 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 19 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 20 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 20 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 20 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 20 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 20 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 20 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 21 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 21 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 21 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 21 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 21 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 21 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 22 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 22 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 22 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 22 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 22 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 23 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 23 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 23 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 23 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 24 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 24 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 24 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 24 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 24 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 24 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 25 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 25 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 25 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 25 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 26 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 26 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 26 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 26 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 26 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 27 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 27 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 27 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 27 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 27 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 27 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 28 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 28 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 28 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 28 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 28 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 28 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 28 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 28 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 28 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 29 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 29 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 29 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 29 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 29 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 29 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 29 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 29 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 29 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 30 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 30 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 30 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 30 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 30 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 30 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 30 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 30 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 30 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 30 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 31 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 31 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 31 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 31 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 31 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 31 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 31 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 31 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 31 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 32 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 32 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 32 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 32 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 32 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 32 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 32 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 32 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 32 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 32 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 33 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 33 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 33 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 33 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 33 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 33 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 33 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 33 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 33 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 33 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 34 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 34 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 34 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 34 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 34 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 34 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 34 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 34 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 35 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 35 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 35 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 35 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 35 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 35 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 35 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 35 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 35 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 35 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 36 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 36 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 36 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 36 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 36 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 36 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 36 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 36 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 36 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 37 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 37 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 37 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 37 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 37 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 37 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 37 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 37 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 38 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 38 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 38 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 38 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 38 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 38 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 38 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 38 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 38 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 39 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 39 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 39 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 39 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 39 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 39 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 40 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 40 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 40 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 40 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 40 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 40 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 40 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 41 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 41 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 41 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 41 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 41 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 41 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 41 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 42 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 42 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 42 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 43 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 43 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 43 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 43 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 43 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 43 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 44 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 44 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 44 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 44 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 44 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 44 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 45 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 45 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 45 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 45 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 45 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 45 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 46 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 46 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 46 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 46 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 46 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 46 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 46 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 46 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 47 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 47 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 47 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 47 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 47 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 47 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 47 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 47 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 47 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 48 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 48 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 48 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 48 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 48 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 48 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 48 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 48 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 48 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 49 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 49 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 49 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 49 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 49 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 49 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 49 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 49 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 49 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 49 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 50 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 50 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 50 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 50 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 50 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 50 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 50 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 51 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 51 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 51 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 51 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 51 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 51 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 51 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 51 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 51 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 52 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 52 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 52 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 52 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 52 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 52 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 52 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 52 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 52 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 53 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 53 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 53 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 53 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 53 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 53 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 53 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 53 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 54 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 54 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 54 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 54 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 54 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 54 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 54 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 54 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 54 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 55 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 55 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 55 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 55 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 55 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 55 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 55 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 55 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 55 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 56 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 56 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 56 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 56 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 56 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 56 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 56 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 56 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 57 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 57 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 57 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 57 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 57 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 57 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 57 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 57 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 57 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 58 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 58 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 58 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 58 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 58 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 58 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 58 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 58 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 59 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 59 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 59 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 59 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 59 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 59 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 59 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 59 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 59 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 60 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 60 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 60 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 60 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 60 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 60 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 61 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 61 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 61 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 61 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 61 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 61 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 62 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 62 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 62 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 62 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 62 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 62 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 62 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 63 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 63 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 63 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 63 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 63 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 63 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 63 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 63 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 63 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 64 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 64 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 64 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 64 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 64 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 64 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 64 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 65 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 65 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 65 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 65 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 65 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 65 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 65 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 65 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 65 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 66 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 66 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 66 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 66 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 66 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 66 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 66 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 67 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 67 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 67 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 67 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 67 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 67 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 67 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 67 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 67 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 68 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 68 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 68 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 68 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 68 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 68 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 68 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 68 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 68 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 69 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 69 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 69 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 69 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 69 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 69 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 69 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 69 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 69 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 70 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 70 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 70 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 70 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 70 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 70 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 70 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 70 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 70 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 71 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 71 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 71 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 71 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 71 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 71 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 71 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 71 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 71 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 71 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 72 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 72 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 72 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 72 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 72 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 72 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 72 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 72 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 72 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 72 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 73 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 73 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 73 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 73 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 73 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 73 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 73 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 73 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 73 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 74 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 74 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 74 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 74 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 74 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 74 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 74 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 74 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 74 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 74 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 75 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 75 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 75 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 75 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 75 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 75 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 75 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 75 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 76 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 76 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 76 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 76 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 76 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 76 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 76 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 76 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 77 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 77 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 77 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 77 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 77 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 77 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 77 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 77 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 77 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 78 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 78 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 78 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 78 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 78 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 78 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 78 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 79 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 79 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 79 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 79 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 79 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 79 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 79 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 79 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 80 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 80 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 80 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 80 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 80 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 80 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 80 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 80 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 80 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 80 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 81 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 81 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 81 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 81 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 81 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 81 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 81 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 81 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 82 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 82 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 82 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 82 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 82 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 82 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 82 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 83 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 83 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 83 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 83 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 83 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 84 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 84 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 84 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 84 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 84 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 84 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 84 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 85 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 85 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 85 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 85 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 85 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 85 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 85 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 85 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 86 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 86 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 86 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 86 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 86 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 86 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 86 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 86 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 86 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 87 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 87 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 87 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 87 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 87 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 87 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 87 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 87 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 87 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 88 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 88 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 88 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 88 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 88 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 88 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 88 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 88 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 88 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 89 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 89 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 89 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 89 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 89 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 89 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 89 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 89 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 90 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 90 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 90 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 90 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 90 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 90 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 90 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 90 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 91 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 91 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 91 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 91 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 91 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 91 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 91 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 91 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 91 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 92 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 92 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 92 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 92 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 92 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 92 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 92 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 92 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 92 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 92 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 93 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 93 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 93 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 93 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 93 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 93 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 93 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 93 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 93 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 94 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 94 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 94 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 94 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 94 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 94 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 94 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 94 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 94 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 94 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 95 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 95 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 95 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 95 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 95 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 95 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 95 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 95 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 95 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 95 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 96 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 96 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 96 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 96 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 96 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 96 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 96 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 96 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 96 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 96 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 97 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 97 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 97 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 97 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 97 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 97 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 97 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 97 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 97 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 97 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 98 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 98 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 98 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 98 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 98 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 98 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 98 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 98 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 98 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 99 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 99 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 99 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 99 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 99 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 99 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 99 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 99 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 99 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 100 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 100 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 100 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 100 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 100 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 100 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 100 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 100 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 100 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 101 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 101 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 101 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 101 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 101 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 101 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 101 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 102 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 102 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 102 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 102 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 102 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 102 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 102 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 103 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 103 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 103 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 103 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 103 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 103 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 103 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 104 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 104 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 104 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 104 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 104 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 104 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 104 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 105 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 105 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 105 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 105 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 105 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 105 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 105 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 105 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 106 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 106 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 106 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 106 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 106 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 106 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 106 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 106 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 106 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 106 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 107 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 107 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 107 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 107 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 107 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 107 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 107 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 107 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 107 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 107 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 108 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 108 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 108 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 108 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 108 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 108 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 108 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 108 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 109 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 109 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 109 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 109 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 109 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 109 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 109 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 109 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 110 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 110 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 110 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 110 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 110 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 110 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 110 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 110 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 110 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 111 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 111 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 111 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 111 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 111 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 111 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 111 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 111 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 111 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 111 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 112 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 112 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 112 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 112 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 112 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 112 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 112 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 112 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 112 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 112 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 113 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 113 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 113 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 113 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 113 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 113 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 113 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 113 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 113 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 113 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 114 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 114 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 114 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 114 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 114 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 114 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 114 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 114 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 114 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 114 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 115 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 115 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 115 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 115 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 115 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 115 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 115 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 116 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 116 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 116 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 116 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 116 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 116 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 116 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 116 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 117 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 117 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 117 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 117 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 117 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 117 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 117 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 117 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 117 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 117 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 118 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 118 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 118 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 118 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 118 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 118 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 118 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 118 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 118 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 119 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 119 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 119 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 119 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 119 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 119 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 120 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 120 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 120 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 120 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 120 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 120 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 121 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 121 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 121 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 121 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 121 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 121 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 121 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 122 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 122 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 122 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 122 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 122 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 123 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 123 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 123 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 123 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 123 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 123 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 124 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 124 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 124 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 124 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 124 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 124 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 124 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 125 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 125 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 125 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 125 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 125 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 125 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 125 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 125 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 126 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 126 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 126 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 126 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 126 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 126 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 127 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 127 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 127 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 127 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 127 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 127 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 127 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 127 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 128 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 128 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 128 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 128 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 128 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 128 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 128 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 129 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 129 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 129 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 129 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 129 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 129 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 129 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 130 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 130 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 130 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 130 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 130 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 130 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 130 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 130 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 130 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 131 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 131 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 131 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 131 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 131 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 131 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 131 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 131 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 131 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 131 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 132 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 132 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 132 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 132 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 132 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 132 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 132 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 133 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 133 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 133 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 133 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 133 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 133 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 133 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 133 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 134 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 134 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 134 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 134 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 134 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 134 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 134 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 134 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 135 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 135 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 135 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 135 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 135 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 135 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 135 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 135 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 136 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 136 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 136 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 136 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 136 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 136 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 136 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 136 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 136 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 136 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 137 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 137 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 137 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 137 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 137 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 137 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 137 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 137 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 137 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 138 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 138 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 138 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 138 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 138 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 138 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 138 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 138 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 138 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 139 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 139 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 139 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 139 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 139 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 139 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 139 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 139 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 139 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 140 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 140 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 140 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 140 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 140 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 140 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 140 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 140 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 140 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 141 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 141 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 141 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 141 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 141 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 141 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 141 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 141 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 141 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 142 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 142 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 142 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 142 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 142 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 142 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 143 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 143 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 143 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 143 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 143 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 143 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 143 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 143 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 144 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 144 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 144 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 144 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 144 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 144 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 144 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 145 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 145 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 145 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 145 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 145 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 145 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 145 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 145 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 146 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 146 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 146 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 146 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 146 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 146 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 146 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 146 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 146 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 146 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 147 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 147 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 147 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 147 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 147 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 147 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 147 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 147 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 147 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 147 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 148 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 148 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 148 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 148 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 148 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 148 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 148 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 148 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 148 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 149 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 149 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 149 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 149 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 149 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 149 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 149 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 149 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 150 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 150 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 150 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 150 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 150 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 150 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 150 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 150 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 151 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 151 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 151 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 151 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 151 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 151 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 151 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 151 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 152 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 152 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 152 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 152 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 152 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 152 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 152 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 152 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 152 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 153 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 153 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 153 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 153 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 153 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 153 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 153 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 153 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 153 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 154 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 154 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 154 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 154 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 154 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 154 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 154 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 154 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 155 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 155 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 155 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 155 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 155 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 155 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 155 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 155 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 155 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 155 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 156 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 156 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 156 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 156 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 156 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 156 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 156 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 156 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 156 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 156 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 157 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 157 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 157 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 157 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 157 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 157 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 157 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 157 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 157 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 158 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 158 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 158 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 158 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 158 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 158 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 158 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 158 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 158 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 159 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 159 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 159 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 159 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 159 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 159 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 159 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 159 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 159 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 160 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 160 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 160 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 160 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 160 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 160 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 160 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 160 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 160 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 161 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 161 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 161 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 161 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 161 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 161 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 161 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 162 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 162 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 162 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 162 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 162 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 162 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 163 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 163 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 163 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 164 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 164 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 164 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 164 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 164 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 164 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 164 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 165 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 165 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 165 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 165 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 165 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 165 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 165 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 165 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 166 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 166 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 166 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 166 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 166 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 166 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 166 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 166 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 166 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 166 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 167 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 167 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 167 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 167 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 167 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 167 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 167 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 167 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 167 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 168 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 168 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 168 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 168 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 168 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 168 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 168 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 168 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 168 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 169 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 169 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 169 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 169 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 169 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 169 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 169 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 170 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 170 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 170 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 170 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 170 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 170 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 170 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 170 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 170 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 170 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 171 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 171 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 171 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 171 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 171 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 171 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 171 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 171 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 172 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 172 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 172 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 172 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 172 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 172 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 172 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 172 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 173 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 173 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 173 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 173 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 173 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 173 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 173 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 174 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 174 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 174 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 174 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 174 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 174 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 174 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 174 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 175 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 175 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 175 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 175 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 175 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 175 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 175 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 175 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 175 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 175 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 176 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 176 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 176 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 176 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 176 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 176 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 176 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 176 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 176 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 177 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 177 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 177 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 177 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 177 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 177 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 177 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 177 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 177 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 177 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 178 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 178 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 178 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 178 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 178 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 178 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 178 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 178 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 178 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 179 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 179 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 179 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 179 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 179 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 179 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 179 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 179 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 180 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 180 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 180 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 180 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 180 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 180 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 180 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 180 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 180 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 180 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 181 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 181 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 181 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 181 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 181 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 181 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 181 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 181 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 182 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 182 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 182 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 182 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 182 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 182 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 182 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 182 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 183 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 183 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 183 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 183 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 183 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 183 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 184 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 184 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 184 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 184 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 184 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 184 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 184 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 184 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 184 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 184 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 185 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 185 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 185 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 185 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 185 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 185 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 185 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 185 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 185 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 186 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 186 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 186 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 186 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 186 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 186 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 186 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 186 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 187 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 187 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 187 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 187 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 187 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 187 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 187 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 187 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 187 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 188 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 188 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 188 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 188 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 188 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 188 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 188 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 188 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 189 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 189 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 189 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 189 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 189 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 189 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 189 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 189 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 189 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 190 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 190 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 190 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 190 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 190 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 190 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 190 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 190 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 190 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 190 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 191 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 191 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 191 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 191 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 191 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 191 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 192 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 192 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 192 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 192 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 192 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 192 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 192 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 192 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 192 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 193 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 193 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 193 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 193 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 193 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 193 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 193 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 193 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 194 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 194 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 194 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 194 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 194 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 194 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 194 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 195 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 195 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 195 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 195 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 195 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 195 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 195 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 195 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 196 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 196 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 196 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 196 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 196 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 196 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 196 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 196 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 197 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 197 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 197 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 197 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 197 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 197 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 197 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 197 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 197 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 198 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 198 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 198 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 198 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 198 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 198 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 199 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 199 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 199 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 199 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 199 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 199 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 199 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 199 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 199 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 199 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 200 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 200 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 200 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 200 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 200 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 200 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 200 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 200 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 200 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 201 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 201 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 201 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 201 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 201 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 201 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 201 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 201 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 201 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 202 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 202 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 202 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 202 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 202 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 202 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 202 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 202 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 202 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 202 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 203 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 203 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 203 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 203 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 203 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 203 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 204 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 204 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 204 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 204 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 204 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 204 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 204 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 204 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 204 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 205 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 205 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 205 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 205 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 205 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 205 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 205 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 206 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 206 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 206 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 206 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 206 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 206 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 206 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 206 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 206 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 206 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 207 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 207 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 207 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 207 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 207 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 207 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 207 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 207 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 207 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 207 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 208 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 208 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 208 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 208 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 208 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 208 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 208 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 208 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 209 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 209 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 209 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 209 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 209 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 209 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 209 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 209 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 209 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 210 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 210 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 210 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 210 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 210 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 210 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 210 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 210 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 210 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 211 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 211 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 211 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 211 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 211 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 211 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 212 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 212 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 212 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 212 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 213 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 213 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 213 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 213 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 213 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 213 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 213 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 214 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 214 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 214 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 214 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 214 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 214 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 214 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 215 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 215 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 215 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 215 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 215 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 215 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 215 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 215 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 215 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 215 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 216 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 216 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 216 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 216 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 216 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 216 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 216 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 216 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 216 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 217 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 217 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 217 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 217 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 217 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 217 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 217 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 217 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 217 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 218 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 218 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 218 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 218 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 218 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 218 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 218 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 218 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 218 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 219 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 219 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 219 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 219 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 219 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 219 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 219 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 219 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 219 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 220 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 220 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 220 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 220 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 220 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 220 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 220 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 220 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 220 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 220 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 221 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 221 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 221 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 221 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 221 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 221 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 221 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 221 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 221 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 222 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 222 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 222 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 222 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 222 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 222 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 222 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 222 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 223 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 223 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 223 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 223 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 223 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 223 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 223 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 223 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 224 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 224 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 224 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 224 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 224 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 224 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 224 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 224 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 224 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 224 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 225 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 225 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 225 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 225 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 225 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 225 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 225 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 225 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 226 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 226 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 226 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 226 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 226 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 226 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 226 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 226 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 226 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 227 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 227 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 227 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 227 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 227 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 227 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 227 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 227 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 227 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 227 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 228 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 228 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 228 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 228 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 228 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 228 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 228 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 228 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 229 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 229 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 229 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 229 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 229 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 229 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 229 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 229 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 229 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 230 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 230 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 230 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 230 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 230 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 230 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 230 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 230 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 230 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 230 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 231 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 231 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 231 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 231 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 231 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 231 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 231 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 232 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 232 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 232 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 232 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 232 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 232 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 232 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 232 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 232 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 232 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 233 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 233 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 233 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 233 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 233 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 233 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 233 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 233 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 233 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 233 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 234 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 234 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 234 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 234 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 234 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 234 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 234 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 234 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 234 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 235 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 235 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 235 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 235 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 235 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 235 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 235 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 235 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 235 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 235 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 236 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 236 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 236 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 236 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 236 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 236 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 236 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 236 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 236 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 236 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 237 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 237 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 237 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 237 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 237 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 237 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 237 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 237 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 237 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 238 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 238 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 238 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 238 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 238 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 238 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 238 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 238 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 238 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 239 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 239 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 239 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 239 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 239 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 239 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 239 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 239 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 240 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 240 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 240 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 240 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 240 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 240 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 240 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 240 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 240 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 240 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 241 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 241 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 241 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 241 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 241 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 241 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 241 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 241 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 241 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 242 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 242 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 242 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 242 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 242 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 242 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 242 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 242 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 243 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 243 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 243 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 243 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 243 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 243 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 243 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 243 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 243 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 244 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 244 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 244 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 244 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 244 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 244 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 244 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 244 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 244 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 245 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 245 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 245 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 245 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 245 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 245 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 246 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 246 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 246 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 246 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 246 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 246 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 246 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 246 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 246 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 247 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 247 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 247 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 247 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 247 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 247 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 247 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 247 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 247 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 247 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 248 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 248 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 248 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 248 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 248 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 248 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 248 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 248 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 248 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 248 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 249 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 249 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 249 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 249 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 249 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 249 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 249 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 249 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 249 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 249 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 250 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 250 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 250 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 250 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 250 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 250 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 250 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 251 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 251 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 251 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 251 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 251 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 251 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 251 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 251 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 251 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 252 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 252 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 252 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 252 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 252 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 252 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 252 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 252 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 253 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 253 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 253 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 253 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 253 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 253 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 253 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 253 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 254 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 254 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 254 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 254 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 254 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 254 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 254 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 254 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 254 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 254 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 255 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 255 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 255 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 255 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 255 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 255 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 255 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 255 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 256 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 256 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 256 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 256 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 256 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 256 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 256 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 256 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 256 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 256 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 257 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 257 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 257 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 257 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 257 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 257 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 257 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 257 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 257 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 258 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 258 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 258 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 258 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 258 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 258 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 258 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 258 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 258 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 259 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 259 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 259 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 259 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 259 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 259 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 259 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 260 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 260 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 260 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 260 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 260 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 260 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 260 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 260 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 260 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 260 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 261 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 261 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 261 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 261 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 261 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 261 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 261 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 261 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 261 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 262 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 262 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 262 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 262 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 263 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 263 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 263 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 263 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 263 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 264 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 264 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 264 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 264 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 264 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 264 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 265 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 265 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 265 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 265 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 265 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 265 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 265 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 265 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 265 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 265 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 266 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 266 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 266 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 266 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 266 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 266 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 266 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 266 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 266 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 267 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 267 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 267 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 267 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 267 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 267 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 267 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 267 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 267 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 268 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 268 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 268 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 268 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 268 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 268 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 268 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 268 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 268 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 268 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 269 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 269 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 269 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 269 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 269 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 269 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 269 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 269 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 270 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 270 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 270 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 270 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 270 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 270 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 270 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 270 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 270 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 270 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 271 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 271 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 271 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 271 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 271 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 271 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 271 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 271 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 271 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 272 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 272 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 272 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 272 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 272 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 272 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 272 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 272 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 272 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 273 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 273 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 273 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 273 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 273 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 273 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 273 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 274 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 274 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 274 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 274 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 274 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 274 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 274 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 274 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 274 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 274 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 275 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 275 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 275 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 275 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 275 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 275 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 275 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 275 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 275 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 276 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 276 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 276 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 276 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 276 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 276 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 276 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 276 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 276 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 276 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 277 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 277 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 277 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 277 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 277 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 277 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 277 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 277 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 277 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 278 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 278 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 278 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 278 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 278 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 278 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 278 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 278 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 278 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 278 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 279 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 279 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 279 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 279 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 279 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 279 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 279 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 279 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 279 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 280 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 280 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 280 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 280 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 280 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 280 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 280 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 280 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 280 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 281 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 281 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 281 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 281 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 281 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 281 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 281 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 281 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 282 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 282 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 282 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 282 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 282 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 282 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 282 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 283 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 283 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 283 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 283 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 283 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 283 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 283 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 283 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 283 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 284 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 284 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 284 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 284 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 284 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 284 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 285 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 285 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 285 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 285 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 285 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 285 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 285 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 285 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 286 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 286 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 286 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 286 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 286 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 286 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 286 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 286 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 286 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 287 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 287 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 287 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 287 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 287 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 287 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 287 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 287 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 287 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 288 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 288 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 288 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 288 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 288 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 288 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 288 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 288 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 288 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 288 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 289 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 289 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 289 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 289 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 289 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 289 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 289 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 289 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 289 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 289 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 290 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 290 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 290 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 290 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 290 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 290 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 291 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 291 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 291 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 291 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 291 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 292 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 292 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 292 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 292 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 292 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 292 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 292 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 293 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 293 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 293 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 293 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 293 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 293 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 293 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 293 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 293 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 294 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 294 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 294 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 294 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 294 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 294 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 294 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 294 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 295 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 295 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 295 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 295 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 295 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 295 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 295 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 295 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 296 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 296 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 296 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 296 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 296 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 296 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 296 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 296 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 297 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 297 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 297 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 297 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 297 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 297 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 297 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 298 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 298 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 298 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 298 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 298 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 298 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 298 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 298 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 298 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 299 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 299 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 299 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 299 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 299 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 299 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 300 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 300 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 300 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 300 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 300 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 300 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 300 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 300 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 300 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 301 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 301 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 301 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 301 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 301 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 301 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 301 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 302 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 302 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 302 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 302 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 302 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 302 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 303 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 303 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 303 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 303 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 303 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 303 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 303 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 303 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 304 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 304 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 304 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 304 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 304 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 304 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 304 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 304 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 305 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 305 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 305 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 305 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 305 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 305 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 305 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 305 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 306 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 306 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 306 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 306 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 306 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 306 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 306 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 306 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 307 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 307 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 307 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 307 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 307 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 307 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 307 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 307 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 308 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 308 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 308 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 308 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 308 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 308 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 308 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 309 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 309 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 309 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 309 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 309 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 309 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 309 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 310 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 310 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 310 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 310 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 310 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 310 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 310 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 310 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 310 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 310 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 311 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 311 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 311 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 311 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 311 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 311 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 311 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 311 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 312 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 312 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 312 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 312 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 312 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 312 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 312 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 312 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 312 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 313 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 313 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 313 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 313 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 313 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 313 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 313 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 313 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 313 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 313 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 314 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 314 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 314 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 314 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 314 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 314 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 314 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 314 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 315 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 315 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 315 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 315 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 315 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 315 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 315 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 315 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 316 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 316 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 316 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 316 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 316 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 316 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 316 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 317 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 317 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 317 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 317 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 317 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 317 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 317 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 317 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 317 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 317 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 318 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 318 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 318 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 318 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 318 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 318 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 318 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 318 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 318 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 319 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 319 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 319 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 319 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 319 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 319 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 319 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 319 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 319 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 320 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 320 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 320 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 320 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 320 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 320 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 320 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 320 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 320 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 320 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 321 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 321 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 321 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 321 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 321 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 321 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 321 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 321 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 321 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 322 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 322 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 322 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 322 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 322 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 322 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 322 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 323 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 323 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 323 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 323 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 323 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 323 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 323 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 324 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 324 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 324 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 324 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 324 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 324 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 324 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 324 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 324 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 325 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 325 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 325 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 325 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 325 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 325 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 325 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 325 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 325 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 326 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 326 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 326 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 326 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 326 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 326 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 326 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 326 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 326 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 326 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 327 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 327 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 327 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 327 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 327 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 327 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 327 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 327 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 327 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 328 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 328 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 328 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 328 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 328 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 328 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 328 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 328 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 328 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 329 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 329 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 329 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 329 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 329 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 329 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 329 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 329 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 329 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 330 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 330 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 330 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 330 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 330 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 330 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 330 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 330 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 330 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 331 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 331 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 331 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 331 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 331 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 331 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 331 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 331 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 331 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 332 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 332 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 332 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 332 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 332 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 332 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 332 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 332 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 332 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 332 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 333 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 333 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 333 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 333 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 333 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 333 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 333 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 333 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 334 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 334 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 334 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 334 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 334 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 334 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 334 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 334 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 334 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 334 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 335 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 335 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 335 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 335 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 335 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 335 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 335 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 335 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 335 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 335 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 336 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 336 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 336 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 336 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 336 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 336 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 336 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 336 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 336 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 337 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 337 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 337 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 337 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 337 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 337 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 337 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 337 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 337 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 338 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 338 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 338 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 338 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 338 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 338 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 338 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 338 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 339 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 339 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 339 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 339 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 339 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 339 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 339 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 340 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 340 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 340 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 340 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 340 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 340 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 340 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 341 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 341 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 341 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 341 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 341 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 341 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 341 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 342 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 342 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 342 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 342 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 342 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 342 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 342 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 342 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 343 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 343 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 343 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 343 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 343 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 343 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 343 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 343 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 343 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 343 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 344 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 344 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 344 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 344 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 344 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 344 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 344 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 344 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 344 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 344 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 345 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 345 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 345 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 345 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 345 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 345 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 345 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 346 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 346 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 346 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 346 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 346 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 346 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 346 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 346 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 346 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 346 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 347 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 347 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 347 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 347 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 347 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 347 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 347 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 347 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 348 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 348 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 348 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 348 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 348 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 348 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 348 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 349 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 349 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 349 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 349 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 349 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 349 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 349 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 349 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 349 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 350 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 350 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 350 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 350 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 350 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 350 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 350 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 350 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 351 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 351 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 351 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 351 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 351 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 351 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 351 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 352 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 352 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 352 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 352 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 352 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 352 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 352 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 352 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 352 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 353 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 353 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 353 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 353 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 353 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 353 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 353 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 353 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 354 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 354 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 354 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 354 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 354 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 354 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 354 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 354 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 354 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 355 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 355 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 355 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 355 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 355 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 355 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 355 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 355 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 355 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 356 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 356 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 356 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 356 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 356 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 356 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 356 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 356 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 357 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 357 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 357 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 357 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 357 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 357 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 357 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 357 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 357 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 358 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 358 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 358 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 358 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 358 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 358 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 358 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 358 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 358 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 359 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 359 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 359 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 359 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 359 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 359 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 359 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 359 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 360 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 360 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 360 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 360 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 360 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 360 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 360 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 361 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 361 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 361 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 361 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 361 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 361 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 361 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 361 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 362 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 362 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 362 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 362 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 362 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 362 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 362 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 362 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 362 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 363 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 363 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 363 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 363 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 363 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 363 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 363 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 363 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 363 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 364 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 364 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 364 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 364 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 364 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 364 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 364 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 365 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 365 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 365 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 365 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 365 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 365 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 365 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 365 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 366 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 366 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 366 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 366 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 366 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 366 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 366 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 366 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 366 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 366 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 367 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 367 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 367 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 367 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 367 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 367 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 367 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 367 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 368 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 368 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 368 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 368 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 368 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 368 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 368 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 368 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 369 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 369 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 369 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 369 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 369 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 369 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 369 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 369 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 369 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 370 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 370 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 370 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 370 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 370 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 370 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 370 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) out arg RESULTS//1/Theta5_modeRNA_sim_l-4cf8765a_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 9 ===================================== Write number: 371 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 371 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 371 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 371 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 371 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 371 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 371 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 371 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 371 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONEDONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 372 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 372 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 372 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 372 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 372 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 372 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 372 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONEDONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 373 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 373 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 373 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 373 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 373 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 373 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONEDONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 374 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 374 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 374 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 374 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 374 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 374 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 374 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONEDONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 375 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 375 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 375 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 375 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 375 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 375 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 375 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 375 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONEDONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 6 ===================================== Write number: 376 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 376 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 376 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 376 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 376 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 376 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 376 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 376 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 376 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONEDONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 6 ===================================== Write number: 377 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 377 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 377 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 377 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 377 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 377 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 377 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 377 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 377 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 377 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONEDONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 378 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 378 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 378 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 378 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 378 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 378 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 378 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 378 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 378 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 379 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 379 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 379 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 379 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 379 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 379 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 379 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 379 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONEDONE DONEDONE DONEDONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 2 ===================================== Write number: 380 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 380 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 380 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 380 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 380 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 380 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 380 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 380 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 380 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 2 ===================================== Write number: 381 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 381 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 381 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 381 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 381 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 381 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 381 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 381 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 382 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 382 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 382 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 382 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 382 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 382 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 382 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 382 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 1 ===================================== Write number: 383 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 383 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 383 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 383 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 383 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 383 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 383 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 383 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 384 Temperature: 0.950000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 384 Temperature: 1.000000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 384 Temperature: 1.100000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 384 Temperature: 1.150000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 384 Temperature: 1.200000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 384 Temperature: 1.250000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 384 Temperature: 1.350000 Total energy: 179769313486231570814527423731704356798070567525844996598917476803157260780028538760589558632766878171540458953514382464234321326889464182768467546703537516986049910576551282076245490090389328944075868508455133942304583236903222948165808559332123348274797826204144723168738177180919299881250404026184124858368.000000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.954507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.754507 (E_RNA) where: Base-Base interactions energy: -364.798 where: short stacking energy: -128.808 Base-Backbone interact. energy: 15.184 local terms energy: -177.140260 where: bonds (distance) C4'-P energy: -34.810 bonds (distance) P-C4' energy: -39.793 flat angles C4'-P-C4' energy: -34.545 flat angles P-C4'-P energy: -27.549 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: -124.200 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)